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CAS 34576-83-5 3-CHLORO-6-FLUOROBENZOTHIOPHENE-2-CARBONYL CHLORIDE molecular structure lightbox
CAS RN: 34576-83-5

3-CHLORO-6-FLUOROBENZOTHIOPHENE-2-CARBONYL CHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34576-83-5
  • Purity/Analytical Methods: >99.0%
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34576-83-5 / 3-chloro-6-fluoro-1-benzothiophene-2-carbonyl chloride

Standard CAS: 34576-83-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34576-83-5
Multi CAS
Yes
Molecular Formula
C9H3CL2FOS
Molecular Weight
249.090000
Exact Mass
247.926569
InChI
InChI=1S/C9H3Cl2FOS/c10-7-5-2-1-4(12)3-6(5)14-8(7)9(11)13/h1-3H
InChIKey
IUDFNLIAWHEYEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.98
TPSA
17.07

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
4.5
Consensus LogP
4.05
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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